UCSF

ZINC49587182

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 17 Yes

Other Names:

MFCD12756141

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.36 -49.88 3 4 1 57 235.307 3
Hi High (pH 8-9.5) 1.76 4.14 -6.97 2 4 0 56 234.299 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )